Geometry & MOs

Info

ID:	431471
PubChem CID:	135171552
Reduced:	O2N5H19C20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	23.47
Dipole, Da:	7.39
IP(EA), eV:	-9.12(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-2,6-dimethyl-1H-pyrido[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(NC=NC2=O)N=C1N3CCC(CC3)OC4=CC=CC(=C4)C#N

DOS

IR

Vibrations